SCHEMBL4089152

SCHEMBL4089152

COc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 2/20 0.53
ACE P12821 1/20 0.52
ITGB3 P05106 7/20 0.51
ITGA2B P08514 6/20 0.51
ITGA4 P13612 2/20 0.51
ITGB7 P26010 2/20 0.51
PPARA Q07869 2/20 0.50
FPR2 P25090 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ITGAV P06756 1/20 0.49
PTPN1 P18031 2/20 0.48
SYK P43405 1/20 0.48
PPARG P37231 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4082673 1.00 ALDH1A1 (0.53) ALDH1A1ALOX15ACEITGB3ITGA2B
SCHEMBL4082106 1.00 ALDH1A1 (0.53) ALDH1A1ALOX15ACEITGB3ITGA2B
SCHEMBL2367000 0.94 KLK5 (0.51) ALDH1A1ALOX15ITGA4ITGB7PPARA
SCHEMBL27745756 0.94 KLK5 (0.51) ALDH1A1ALOX15ITGA4ITGB7PPARA
SCHEMBL4086531 0.88 KMT2A (0.44) ALDH1A1ALOX15ITGB3ITGA2BITGA4
SCHEMBL4082893 0.88 KMT2A (0.44) ALDH1A1ALOX15ITGB3ITGA2BITGA4
SCHEMBL2366818 0.83 ITGB3 (0.60) ACEITGB3ITGA2BPPARAITGAV
SCHEMBL2367199 0.83 ITGB3 (0.60) ACEITGB3ITGA2BPPARAITGAV
SCHEMBL6763708 0.83 ITGB3 (0.60) ACEITGB3ITGA2BPPARAITGAV
SCHEMBL4082634 0.82 KMT2A (0.46) ALDH1A1ALOX15PPARAKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 US disclosed
CN-101466729-A Lysobactin amides AICURIS GMBH & CO KG (DE) 2009-06-24 CN disclosed
EP-2007794-A1 LYSOBACTIN AMIDES AiCuris GmbH & Co. KG (DE) 2008-12-31 EP disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST ALDH1A1 3748/4885ALOX15 1208/4885ACE 1492/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.